N-benzyl-4-[(3-chlorophenyl)methyl]-2-(3-fluoro-4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[(3-chlorophenyl)methyl]-2-(3-fluoro-4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-benzyl-4-[(3-chlorophenyl)methyl]-2-(3-fluoro-4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V021-1929 |
| Compound Name: | N-benzyl-4-[(3-chlorophenyl)methyl]-2-(3-fluoro-4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 478.91 |
| Molecular Formula: | C25 H20 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1F)N1C(N(Cc2cccc(c2)[Cl])C(C(C(NCc2ccccc2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9717 |
| logD: | 4.9574 |
| logSw: | -5.0007 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.658 |
| InChI Key: | FIVPXWMXBLUEPU-UHFFFAOYSA-N |